mirror of https://github.com/abinit/abinit.git
64 lines
1.7 KiB
Plaintext
64 lines
1.7 KiB
Plaintext
# ================================================================
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# Configuration file for ABINIT 10.5 compilation
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#
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# CPU: Nvidia Grace
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# GPU: Nvidia H100 SXM4 80 Go
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# Compilers: Nvidia HPC compilers 24.5
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# Libraries: NVPL, CUDA
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# ================================================================
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#prefix=${ROOT}/install/${MY_ARCH}/abinit-gpu
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# Compilers and flags
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# ========================================
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FC=$FC_MPI
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CC=$CC_MPI
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CXX=$CXX_MPI
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with_optim_flavor="standard"
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fcflags_opt_80_tdep="-O1 -g -fPIC" # NVFORTRAN has difficulties to compile 80_tdep directory
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# Parallel compilation
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# ========================================
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with_mpi="yes"
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enable_mpi_io="yes"
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enable_openmp="yes"
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# CUDA GPU
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# ========================================
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with_cuda="${CUDA_ROOT}"
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enable_openmp_offload="yes"
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enable_mpi_gpu_aware="yes"
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GPU_ARCH=90
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# Debug
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# with_gpu_markers="yes"
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# Linear Algebra library
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# ========================================
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with_linalg_flavor="netlib"
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LINALG_LDFLAGS="-L${NVHPC_ROOT}/compilers/lib -lblas -llapack"
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# FFT
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# ========================================
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with_fft_flavor="fftw3"
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with_fftw3="${FFTW3_ROOT}"
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FFTW3_CFLAGS="-I${FFTW3_ROOT}/include"
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FFTW3_FCFLAGS="-I${FFTW3_ROOT}/include"
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FFTW3_CPPFLAGS="-I${FFTW3_ROOT}/include"
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FFTW3_LIBS="-L${FFTW3_ROOT}/lib -lfftw3 -lfftw3f -lfftw3_threads "
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# NetCDF library
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# ========================================
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with_hdf5="${HDF5_ROOT}"
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with_netcdf="${NETCDF_C_ROOT}"
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with_netcdf_fortran="${NETCDF_FORTRAN_ROOT}"
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# Additional plugins & libs
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# ========================================
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with_libxc="${ROOT}/install/${MY_ARCH}/libxc"
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# Miscellaneous options
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# ========================================
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enable_zdot_bugfix="no"
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enable_gw_dpc="yes"
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